SCHEMBL12416860

SCHEMBL12416860

Cc1c(/N=C/c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.60
▸ SMN1; SMN2 Q16637 7/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ HPGD P15428 2/20 0.60
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 7/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ TP53 P04637 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TDP1 Q9NUW8 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ GLA P06280 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10677453 0.85 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10677448 0.85 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL4368007 0.74 G6PD (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL9849951 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL18887676 0.73 TDP1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL22198257 0.73 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL9175025 0.72 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL15356725 0.71 NPC1 (0.72) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL3490491 0.71 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3490492 0.71 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 ALDH1A1 3768/4885SMN1; SMN2 1896/4885MEN1 392/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 ALDH1A1 3768/4885SMN1; SMN2 1896/4885MEN1 392/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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